#DFF:MSD
#Model Structure Data File    Energy = 107.014737
PBC:   30.588183   30.588183   30.588183   90.000000   90.000000   90.000000  
200
1      C0     6    c2           c_4   -0.129000  -1.288876     10.097589   -10.947883    1    UNK       1
2      C1     6    c1           c_4   -0.086000  -1.448973     9.388576    -9.622811     1    UNK       2
3      C2     6    c1           c_4   -0.086000  -1.962282     7.982987    -9.833158     1    UNK       3
4      C3     6    c1           c_4   -0.086000  -2.135786     7.297636    -8.507746     1    UNK       4
5      C4     6    c1           c_4   -0.086000  -2.597264     5.880645    -8.738420     1    UNK       5
6      C5     6    c2           c_4   -0.129000  -2.801129     5.218338    -7.396314     1    UNK       6
7      H6     1    h3           h_1    0.043000  -1.509312     9.453303    -11.845711    1    UNK       1
8      H7     1    h3           h_1    0.043000  -1.978675     10.976634   -11.012677    1    UNK       1
9      H8     1    h3           h_1    0.043000  -0.242589     10.462484   -11.077781    1    UNK       1
10     H9     1    h3           h_1    0.043000  -2.163654     9.966510    -8.973695     1    UNK       2
11     H10    1    h3           h_1    0.043000  -0.455622     9.354479    -9.099878     1    UNK       2
12     H11    1    h3           h_1    0.043000  -1.229926     7.407959    -10.463926    1    UNK       3
13     H12    1    h3           h_1    0.043000  -2.949575     8.015796    -10.373290    1    UNK       3
14     H13    1    h3           h_1    0.043000  -2.890623     7.857411    -7.891524     1    UNK       4
15     H14    1    h3           h_1    0.043000  -1.157157     7.291763    -7.950677     1    UNK       4
16     H15    1    h3           h_1    0.043000  -1.829987     5.309539    -9.329255     1    UNK       5
17     H16    1    h3           h_1    0.043000  -3.563879     5.869061    -9.312816     1    UNK       5
18     H17    1    h3           h_1    0.043000  -3.121917     4.154296    -7.514682     1    UNK       6
19     H18    1    h3           h_1    0.043000  -1.849746     5.235204    -6.804757     1    UNK       6
20     H19    1    h3           h_1    0.043000  -3.589756     5.763779    -6.813045     1    UNK       6
21     C0     6    c2           c_4   -0.129000  -4.879915    -7.020246     4.999384     2    UNK       7
22     C1     6    c1           c_4   -0.086000  -3.568804    -6.637107     5.646441     2    UNK       8
23     C2     6    c1           c_4   -0.086000  -2.679245    -7.849192     5.798266     2    UNK       9
24     C3     6    c1           c_4   -0.086000  -1.389174    -7.457723     6.460819     2    UNK      10
25     C4     6    c1           c_4   -0.086000  -0.493379    -8.667077     6.556223     2    UNK      11
26     C5     6    c2           c_4   -0.129000   0.783015    -8.264248     7.256362     2    UNK      12
27     H6     1    h3           h_1    0.043000  -4.941551    -8.101112     4.686845     2    UNK       7
28     H7     1    h3           h_1    0.043000  -5.734438    -6.844627     5.700555     2    UNK       7
29     H8     1    h3           h_1    0.043000  -5.055055    -6.420312     4.075185     2    UNK       7
30     H9     1    h3           h_1    0.043000  -3.769446    -6.177914     6.653914     2    UNK       8
31     H10    1    h3           h_1    0.043000  -3.054261    -5.867329     5.010774     2    UNK       8
32     H11    1    h3           h_1    0.043000  -2.466752    -8.286436     4.784097     2    UNK       9
33     H12    1    h3           h_1    0.043000  -3.201800    -8.628565     6.420393     2    UNK       9
34     H13    1    h3           h_1    0.043000  -1.602299    -7.049312     7.485823     2    UNK      10
35     H14    1    h3           h_1    0.043000  -0.879354    -6.654815     5.857913     2    UNK      10
36     H15    1    h3           h_1    0.043000  -0.254128    -9.059880     5.530345     2    UNK      11
37     H16    1    h3           h_1    0.043000  -0.997515    -9.486592     7.138160     2    UNK      11
38     H17    1    h3           h_1    0.043000   1.493093    -9.124174     7.330797     2    UNK      12
39     H18    1    h3           h_1    0.043000   1.290251    -7.436827     6.696518     2    UNK      12
40     H19    1    h3           h_1    0.043000   0.555454    -7.901374     8.293755     2    UNK      12
41     C0     6    c2           c_4   -0.129000   6.657236     5.210088    -10.415264    3    UNK      13
42     C1     6    c1           c_4   -0.086000   7.263991     6.593135    -10.471655    3    UNK      14
43     C2     6    c1           c_4   -0.086000   7.864021     6.962856    -9.134987     3    UNK      15
44     C3     6    c1           c_4   -0.086000   8.444913     8.346653    -9.199764     3    UNK      16
45     C4     6    c1           c_4   -0.086000   9.085432     8.678475    -7.875504     3    UNK      17
46     C5     6    c2           c_4   -0.129000   9.631876     10.084837   -7.946258     3    UNK      18
47     H6     1    h3           h_1    0.043000   6.810495     4.678494    -9.433576     3    UNK      13
48     H7     1    h3           h_1    0.043000   5.551206     5.255701    -10.580661    3    UNK      13
49     H8     1    h3           h_1    0.043000   7.101929     4.550472    -11.197500    3    UNK      13
50     H9     1    h3           h_1    0.043000   6.470333     7.338050    -10.756854    3    UNK      14
51     H10    1    h3           h_1    0.043000   8.060505     6.614930    -11.263145    3    UNK      14
52     H11    1    h3           h_1    0.043000   8.670869     6.225352    -8.870489     3    UNK      15
53     H12    1    h3           h_1    0.043000   7.069765     6.923775    -8.337996     3    UNK      15
54     H13    1    h3           h_1    0.043000   7.630873     9.085018    -9.434310     3    UNK      16
55     H14    1    h3           h_1    0.043000   9.217014     8.398013    -10.017869    3    UNK      16
56     H15    1    h3           h_1    0.043000   9.920227     7.959229    -7.652419     3    UNK      17
57     H16    1    h3           h_1    0.043000   8.331065     8.610823    -7.044384     3    UNK      17
58     H17    1    h3           h_1    0.043000   10.139678    10.370157   -6.992407     3    UNK      18
59     H18    1    h3           h_1    0.043000   10.374829    10.172876   -8.780300     3    UNK      18
60     H19    1    h3           h_1    0.043000   8.799149     10.812902   -8.136332     3    UNK      18
61     C0     6    c2           c_4   -0.129000   0.204145    -6.605394    -11.072763    4    UNK      19
62     C1     6    c1           c_4   -0.086000  -0.825531    -6.436777    -9.979311     4    UNK      20
63     C2     6    c1           c_4   -0.086000  -1.533943    -7.744684    -9.712699     4    UNK      21
64     C3     6    c1           c_4   -0.086000  -2.567213    -7.557777    -8.638343     4    UNK      22
65     C4     6    c1           c_4   -0.086000  -3.226415    -8.882608    -8.347813     4    UNK      23
66     C5     6    c2           c_4   -0.129000  -4.285916    -8.669810    -7.292511     4    UNK      24
67     H6     1    h3           h_1    0.043000   0.311985    -7.663207    -11.445818    4    UNK      19
68     H7     1    h3           h_1    0.043000  -0.058452    -5.981299    -11.964054    4    UNK      19
69     H8     1    h3           h_1    0.043000   1.215696    -6.298651    -10.715278    4    UNK      19
70     H9     1    h3           h_1    0.043000  -1.570309    -5.650630    -10.285034    4    UNK      20
71     H10    1    h3           h_1    0.043000  -0.315004    -6.085330    -9.042756     4    UNK      20
72     H11    1    h3           h_1    0.043000  -0.783624    -8.516334    -9.386513     4    UNK      21
73     H12    1    h3           h_1    0.043000  -2.031178    -8.106709    -10.655707    4    UNK      21
74     H13    1    h3           h_1    0.043000  -3.332353    -6.808736    -8.979444     4    UNK      22
75     H14    1    h3           h_1    0.043000  -2.078050    -7.164562    -7.703375     4    UNK      22
76     H15    1    h3           h_1    0.043000  -2.467868    -9.625290    -7.977691     4    UNK      23
77     H16    1    h3           h_1    0.043000  -3.701957    -9.299022    -9.277793     4    UNK      23
78     H17    1    h3           h_1    0.043000  -4.789059    -9.631139    -7.024564     4    UNK      24
79     H18    1    h3           h_1    0.043000  -3.830019    -8.240479    -6.363433     4    UNK      24
80     H19    1    h3           h_1    0.043000  -5.065011    -7.954102    -7.667224     4    UNK      24
81     C0     6    c2           c_4   -0.129000  -1.414262     5.245744     4.229683     5    UNK      25
82     C1     6    c1           c_4   -0.086000  -2.160884     6.502250     4.614256     5    UNK      26
83     C2     6    c1           c_4   -0.086000  -1.662940     7.029035     5.940137     5    UNK      27
84     C3     6    c1           c_4   -0.086000  -2.427093     8.265480     6.319323     5    UNK      28
85     C4     6    c1           c_4   -0.086000  -1.882231     8.807217     7.616885     5    UNK      29
86     C5     6    c2           c_4   -0.129000  -2.684514     10.027863    8.001349     5    UNK      30
87     H6     1    h3           h_1    0.043000  -0.590623     4.961294     4.944174     5    UNK      25
88     H7     1    h3           h_1    0.043000  -2.109712     4.369943     4.184268     5    UNK      25
89     H8     1    h3           h_1    0.043000  -0.931309     5.362266     3.230725     5    UNK      25
90     H9     1    h3           h_1    0.043000  -3.261740     6.278166     4.677745     5    UNK      26
91     H10    1    h3           h_1    0.043000  -2.010600     7.279514     3.817612     5    UNK      26
92     H11    1    h3           h_1    0.043000  -0.567569     7.270754     5.858865     5    UNK      27
93     H12    1    h3           h_1    0.043000  -1.796891     6.243651     6.735621     5    UNK      27
94     H13    1    h3           h_1    0.043000  -3.516891     8.014356     6.429398     5    UNK      28
95     H14    1    h3           h_1    0.043000  -2.321828     9.041726     5.510350     5    UNK      28
96     H15    1    h3           h_1    0.043000  -0.799607     9.087370     7.501120     5    UNK      29
97     H16    1    h3           h_1    0.043000  -1.960934     8.035314     8.430752     5    UNK      29
98     H17    1    h3           h_1    0.043000  -2.302123     10.481673    8.948416     5    UNK      30
99     H18    1    h3           h_1    0.043000  -2.628674     10.801588    7.192901     5    UNK      30
100    H19    1    h3           h_1    0.043000  -3.761562     9.749949     8.150861     5    UNK      30
101    C0     6    c2           c_4   -0.129000  -14.281003    8.358909     3.877940     6    UNK      31
102    C1     6    c1           c_4   -0.086000  -13.202341    8.701113     4.879713     6    UNK      32
103    C2     6    c1           c_4   -0.086000  -12.763738    7.464113     5.628609     6    UNK      33
104    C3     6    c1           c_4   -0.086000  -11.706773    7.822297     6.634111     6    UNK      34
105    C4     6    c1           c_4   -0.086000  -11.243204    6.569780     7.334350     6    UNK      35
106    C5     6    c2           c_4   -0.129000  -10.208061    6.952253     8.365658     6    UNK      36
107    H6     1    h3           h_1    0.043000  -14.520315    7.259572     3.814808     6    UNK      31
108    H7     1    h3           h_1    0.043000  -15.239316    8.876659     4.135272     6    UNK      31
109    H8     1    h3           h_1    0.043000  -13.979467    8.669876     2.849776     6    UNK      31
110    H9     1    h3           h_1    0.043000  -13.593531    9.470171     5.601965     6    UNK      32
111    H10    1    h3           h_1    0.043000  -12.324782    9.147557     4.339393     6    UNK      32
112    H11    1    h3           h_1    0.043000  -12.354030    6.711584     4.900109     6    UNK      33
113    H12    1    h3           h_1    0.043000  -13.646708    7.006044     6.155963     6    UNK      33
114    H13    1    h3           h_1    0.043000  -12.128196    8.551128     7.378467     6    UNK      34
115    H14    1    h3           h_1    0.043000  -10.835500    8.310402     6.113810     6    UNK      34
116    H15    1    h3           h_1    0.043000  -10.793658    5.851084     6.595872     6    UNK      35
117    H16    1    h3           h_1    0.043000  -12.106819    6.058777     7.841743     6    UNK      35
118    H17    1    h3           h_1    0.043000  -9.814550     6.051479     8.897506     6    UNK      36
119    H18    1    h3           h_1    0.043000  -9.346792     7.476770     7.877366     6    UNK      36
120    H19    1    h3           h_1    0.043000  -10.658457    7.644413     9.125724     6    UNK      36
121    C0     6    c2           c_4   -0.129000   11.263610   -7.832626    -9.364542     7    UNK      37
122    C1     6    c1           c_4   -0.086000   9.960691    -7.075243    -9.250665     7    UNK      38
123    C2     6    c1           c_4   -0.086000   8.791860    -8.032802    -9.228694     7    UNK      39
124    C3     6    c1           c_4   -0.086000   7.503332    -7.266045    -9.135813     7    UNK      40
125    C4     6    c1           c_4   -0.086000   6.351723    -8.236949    -9.061643     7    UNK      41
126    C5     6    c2           c_4   -0.129000   5.063181    -7.450081    -9.005622     7    UNK      42
127    H6     1    h3           h_1    0.043000   11.148997   -8.953485    -9.346487     7    UNK      37
128    H7     1    h3           h_1    0.043000   11.784076   -7.583553    -10.323614    7    UNK      37
129    H8     1    h3           h_1    0.043000   11.945225   -7.577224    -8.519017     7    UNK      37
130    H9     1    h3           h_1    0.043000   9.862572    -6.367615    -10.120009    7    UNK      38
131    H10    1    h3           h_1    0.043000   9.968832    -6.466243    -8.307048     7    UNK      38
132    H11    1    h3           h_1    0.043000   8.888156    -8.720171    -8.343763     7    UNK      39
133    H12    1    h3           h_1    0.043000   8.793498    -8.656039    -10.166310    7    UNK      39
134    H13    1    h3           h_1    0.043000   7.395581    -6.602549    -10.036353    7    UNK      40
135    H14    1    h3           h_1    0.043000   7.511612    -6.616785    -8.215794     7    UNK      40
136    H15    1    h3           h_1    0.043000   6.441163    -8.881944    -8.145140     7    UNK      41
137    H16    1    h3           h_1    0.043000   6.342572    -8.907596    -9.964166     7    UNK      41
138    H17    1    h3           h_1    0.043000   4.177412    -8.127199    -8.926116     7    UNK      42
139    H18    1    h3           h_1    0.043000   5.063087    -6.765169    -8.118906     7    UNK      42
140    H19    1    h3           h_1    0.043000   4.950459    -6.827649    -9.932757     7    UNK      42
141    C0     6    c2           c_4   -0.129000   9.345714     9.871785     4.288951     8    UNK      43
142    C1     6    c1           c_4   -0.086000   8.704266     9.371084     5.562534     8    UNK      44
143    C2     6    c1           c_4   -0.086000   8.474796     7.879340     5.488696     8    UNK      45
144    C3     6    c1           c_4   -0.086000   7.818746     7.399180     6.751852     8    UNK      46
145    C4     6    c1           c_4   -0.086000   7.645666     5.902729     6.683273     8    UNK      47
146    C5     6    c2           c_4   -0.129000   6.952871     5.441964     7.943905     8    UNK      48
147    H6     1    h3           h_1    0.043000   9.598135     9.060034     3.549278     8    UNK      43
148    H7     1    h3           h_1    0.043000   8.665902     10.583948    3.756576     8    UNK      43
149    H8     1    h3           h_1    0.043000   10.303762    10.399537    4.509038     8    UNK      43
150    H9     1    h3           h_1    0.043000   7.726173     9.903791     5.722818     8    UNK      44
151    H10    1    h3           h_1    0.043000   9.374819     9.608306     6.431696     8    UNK      44
152    H11    1    h3           h_1    0.043000   9.460560     7.355706     5.351224     8    UNK      45
153    H12    1    h3           h_1    0.043000   7.817258     7.639148     4.606929     8    UNK      45
154    H13    1    h3           h_1    0.043000   6.820534     7.901438     6.870884     8    UNK      46
155    H14    1    h3           h_1    0.043000   8.458540     7.666622     7.639103     8    UNK      46
156    H15    1    h3           h_1    0.043000   8.645277     5.395946     6.594334     8    UNK      47
157    H16    1    h3           h_1    0.043000   7.025845     5.617786     5.789383     8    UNK      47
158    H17    1    h3           h_1    0.043000   6.822459     4.331992     7.951419     8    UNK      48
159    H18    1    h3           h_1    0.043000   7.551122     5.731986     8.845757     8    UNK      48
160    H19    1    h3           h_1    0.043000   5.939919     5.918669     8.023402     8    UNK      48
161    C0     6    c2           c_4   -0.129000   9.230254    -6.658715     3.364738     9    UNK      49
162    C1     6    c1           c_4   -0.086000   8.683088    -6.442737     4.756890     9    UNK      50
163    C2     6    c1           c_4   -0.086000   8.427950    -7.767861     5.436847     9    UNK      51
164    C3     6    c1           c_4   -0.086000   7.865749    -7.538345     6.810810     9    UNK      52
165    C4     6    c1           c_4   -0.086000   7.667104    -8.867855     7.494197     9    UNK      53
166    C5     6    c2           c_4   -0.129000   7.068036    -8.620849     8.858599     9    UNK      54
167    H6     1    h3           h_1    0.043000   9.413127    -7.739426     3.103165     9    UNK      49
168    H7     1    h3           h_1    0.043000   8.521133    -6.262754     2.594599     9    UNK      49
169    H8     1    h3           h_1    0.043000   10.209853   -6.139518     3.239390     9    UNK      49
170    H9     1    h3           h_1    0.043000   7.727902    -5.851162     4.695353     9    UNK      50
171    H10    1    h3           h_1    0.043000   9.422487    -5.846140     5.355821     9    UNK      50
172    H11    1    h3           h_1    0.043000   9.392701    -8.340825     5.513213     9    UNK      51
173    H12    1    h3           h_1    0.043000   7.700437    -8.373778     4.827625     9    UNK      51
174    H13    1    h3           h_1    0.043000   6.886857    -6.992251     6.729676     9    UNK      52
175    H14    1    h3           h_1    0.043000   8.576450    -6.905198     7.412565     9    UNK      52
176    H15    1    h3           h_1    0.043000   8.649709    -9.403041     7.603917     9    UNK      53
177    H16    1    h3           h_1    0.043000   6.975912    -9.520833     6.893894     9    UNK      53
178    H17    1    h3           h_1    0.043000   6.923749    -9.578439     9.416534     9    UNK      54
179    H18    1    h3           h_1    0.043000   7.738538    -7.958572     9.464551     9    UNK      54
180    H19    1    h3           h_1    0.043000   6.070932    -8.115897     8.756307     9    UNK      54
181    C0     6    c2           c_4   -0.129000  -14.172287   -6.414454     4.011539     10   UNK      55
182    C1     6    c1           c_4   -0.086000  -12.842260   -6.525281     4.720685     10   UNK      56
183    C2     6    c1           c_4   -0.086000  -12.893685   -7.605160     5.776458     10   UNK      57
184    C3     6    c1           c_4   -0.086000  -11.572522   -7.690352     6.486309     10   UNK      58
185    C4     6    c1           c_4   -0.086000  -11.624114   -8.806854     7.498632     10   UNK      59
186    C5     6    c2           c_4   -0.129000  -10.301811   -8.854693     8.227204     10   UNK      60
187    H6     1    h3           h_1    0.043000  -14.933278   -7.179725     4.335561     10   UNK      55
188    H7     1    h3           h_1    0.043000  -14.635273   -5.411692     4.192738     10   UNK      55
189    H8     1    h3           h_1    0.043000  -14.046640   -6.549136     2.911166     10   UNK      55
190    H9     1    h3           h_1    0.043000  -12.587158   -5.536452     5.193206     10   UNK      56
191    H10    1    h3           h_1    0.043000  -12.042666   -6.767498     3.970119     10   UNK      56
192    H11    1    h3           h_1    0.043000  -13.126975   -8.592280     5.290621     10   UNK      57
193    H12    1    h3           h_1    0.043000  -13.707022   -7.372075     6.519243     10   UNK      57
194    H13    1    h3           h_1    0.043000  -11.356700   -6.712448     6.996174     10   UNK      58
195    H14    1    h3           h_1    0.043000  -10.751850   -7.891064     5.741841     10   UNK      58
196    H15    1    h3           h_1    0.043000  -11.810370   -9.790976     6.987970     10   UNK      59
197    H16    1    h3           h_1    0.043000  -12.453215   -8.631396     8.237708     10   UNK      59
198    H17    1    h3           h_1    0.043000  -10.281463   -9.685440     8.974585     10   UNK      60
199    H18    1    h3           h_1    0.043000  -9.462516    -9.013182     7.502083     10   UNK      60
200    H19    1    h3           h_1    0.043000  -10.124302   -7.887135     8.767508     10   UNK      60
190
1      2      1     
2      3      1     
3      4      1     
4      5      1     
5      6      1     
1      7      1     
1      8      1     
1      9      1     
2      10     1     
2      11     1     
3      12     1     
3      13     1     
4      14     1     
4      15     1     
5      16     1     
5      17     1     
6      18     1     
6      19     1     
6      20     1     
21     22     1     
22     23     1     
23     24     1     
24     25     1     
25     26     1     
21     27     1     
21     28     1     
21     29     1     
22     30     1     
22     31     1     
23     32     1     
23     33     1     
24     34     1     
24     35     1     
25     36     1     
25     37     1     
26     38     1     
26     39     1     
26     40     1     
41     42     1     
42     43     1     
43     44     1     
44     45     1     
45     46     1     
41     47     1     
41     48     1     
41     49     1     
42     50     1     
42     51     1     
43     52     1     
43     53     1     
44     54     1     
44     55     1     
45     56     1     
45     57     1     
46     58     1     
46     59     1     
46     60     1     
61     62     1     
62     63     1     
63     64     1     
64     65     1     
65     66     1     
61     67     1     
61     68     1     
61     69     1     
62     70     1     
62     71     1     
63     72     1     
63     73     1     
64     74     1     
64     75     1     
65     76     1     
65     77     1     
66     78     1     
66     79     1     
66     80     1     
81     82     1     
82     83     1     
83     84     1     
84     85     1     
85     86     1     
81     87     1     
81     88     1     
81     89     1     
82     90     1     
82     91     1     
83     92     1     
83     93     1     
84     94     1     
84     95     1     
85     96     1     
85     97     1     
86     98     1     
86     99     1     
86     100    1     
101    102    1     
102    103    1     
103    104    1     
104    105    1     
105    106    1     
101    107    1     
101    108    1     
101    109    1     
102    110    1     
102    111    1     
103    112    1     
103    113    1     
104    114    1     
104    115    1     
105    116    1     
105    117    1     
106    118    1     
106    119    1     
106    120    1     
121    122    1     
122    123    1     
123    124    1     
124    125    1     
125    126    1     
121    127    1     
121    128    1     
121    129    1     
122    130    1     
122    131    1     
123    132    1     
123    133    1     
124    134    1     
124    135    1     
125    136    1     
125    137    1     
126    138    1     
126    139    1     
126    140    1     
141    142    1     
142    143    1     
143    144    1     
144    145    1     
145    146    1     
141    147    1     
141    148    1     
141    149    1     
142    150    1     
142    151    1     
143    152    1     
143    153    1     
144    154    1     
144    155    1     
145    156    1     
145    157    1     
146    158    1     
146    159    1     
146    160    1     
161    162    1     
162    163    1     
163    164    1     
164    165    1     
165    166    1     
161    167    1     
161    168    1     
161    169    1     
162    170    1     
162    171    1     
163    172    1     
163    173    1     
164    174    1     
164    175    1     
165    176    1     
165    177    1     
166    178    1     
166    179    1     
166    180    1     
181    182    1     
182    183    1     
183    184    1     
184    185    1     
185    186    1     
181    187    1     
181    188    1     
181    189    1     
182    190    1     
182    191    1     
183    192    1     
183    193    1     
184    194    1     
184    195    1     
185    196    1     
185    197    1     
186    198    1     
186    199    1     
186    200    1     
